7853-0040 Screening compound: 5-(4-bromophenyl)-3-methyl-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-5-ol

7853-0040 Screening compound: 5-(4-bromophenyl)-3-methyl-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-5-ol
7853-0040 Screening compound: 5-(4-bromophenyl)-3-methyl-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7853-0040
5-(4-bromophenyl)-3-methyl-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-5-ol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

7853-0040

Molecular Formula

C15H13BrN2O2S (C15 H13 BrN2 O2 S)

Compound Name

5-(4-bromophenyl)-3-methyl-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

5-(4-bromophenyl)-3-methyl-1-(thiophene-2-carbonyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(CC1(c(cc2)ccc2Br)O)=NN1C(c1cccs1)=O

InChI

InChI=1S/C15H13BrN2O2S/c1-10-9-15(20,11-4-6-12(16)7-5-11)18(17-10)14(19)13-3-2-8-21-13/h2-8,20H,9H2,1H3/t15-/m0/s1

InChI Key

XUTFDYUXBQFIGP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14713058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.676

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-3.90

Polar Surface Area

43.710

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

7853-0040 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7853-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7853-0040?
Check Price and Availability of 7853-0040, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7853-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7853-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7853-0040
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 7853-0040 available by request